SCHEMBL16615296

SCHEMBL16615296

CN1CCN(Cc2cnccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MC4R P32245 1/20 0.42
AURKA O14965 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HRH1 P35367 3/20 0.39
CYP2D6 P10635 2/20 0.39
RET P07949 1/20 0.39
LTA4H P09960 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20859274 0.94 CHKA (0.47) TNKSPARP1TNKS2KDM4EHRH1
SCHEMBL17289014 0.91 TNKS (0.46) TNKSPARP1TNKS2KDM4EAURKA
SCHEMBL30222750 0.81 CHRNB2 (0.49) TNKSPARP1TNKS2HRH4HRH3
SCHEMBL18705070 0.81 HRH3 (0.47) TNKSPARP1TNKS2KDM4EAURKA
SCHEMBL15014498 0.79 ALDH1A1 (0.49) TNKSPARP1TNKS2KDM4EHRH3
SCHEMBL21852879 0.79 CXCR4 (0.51) TNKSPARP1TNKS2KDM4EHRH3
SCHEMBL3148862 0.79 CXCR4 (0.50) TNKSPARP1TNKS2LMNAHRH3
SCHEMBL20329139 0.78 TNKS (0.40) TNKSPARP1TNKS2KDM4EAURKA
SCHEMBL21043992 0.77 KDM4E (0.43) TNKSPARP1TNKS2KDM4ELMNA
SCHEMBL12424465 0.77 SCN9A (0.41) TNKSPARP1TNKS2KDM4EHRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
EP-3050884-B1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY NATIONAL PHARMACEUTICAL TECH (RU) 2019-04-03 EP disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
CN-104271574-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 CN disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
WO-2015047133-A1 NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" 2015-04-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TNKS 2389/4885PARP1 3198/4885TNKS2 2362/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.